2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid

C13H10Cl2N2O4 — CID 84557887

IUPAC2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H10Cl2N2O4/c1-17(5-11(18)19)13(20)10-6-21-12(16-10)7-2-3-8(14)9(15)4-7/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyOHSIBIMWIJLBDV-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.81
Rot. Bonds4

About 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid

2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid (PubChem CID 84557887) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid
PubChem CID84557887
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H10Cl2N2O4/c1-17(5-11(18)19)13(20)10-6-21-12(16-10)7-2-3-8(14)9(15)4-7/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyOHSIBIMWIJLBDV-UHFFFAOYSA-N
XLogP2.81
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid
CID 84557942
2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 84557151
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235918
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
CID 84557885
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
CID 84552965
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 84553156

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid (CID 84557887) is 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid?
The InChIKey is OHSIBIMWIJLBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-17(5-11(18)19)13(20)10-6-21-12(16-10)7-2-3-8(14)9(15)4-7/h2-4,6H,5H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid?
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid has a molecular weight of 329.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 84557887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).